3'-Desoxyadenosin

Cipargamin · 3'-Deoxyadenosine · 3'-dA · chongcaoduitang · Adenine cordyceposide · NSC 63984 · CORDYCEPIN · NSC 401022

Identifikatoren & physikalische Daten

CAS No.	73-03-0
Summenformel	C10H13N5O3
Durchschnittliche Molmasse	251,24 g/mol
Monoisotopische Masse	251,10183928 g/mol
SMILES	Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O
InChIKey	OFEZSBMBBKLLBJ-BAJZRUMYSA-N
PubChem CID	6303
ChEMBL	CHEMBL305686
ChEBI	CHEBI:29014
EC No.	200-791-4
DTXSID	DTXSID1041007
Lokaler Name	3'-Desoxyadenosin

XLogP	-1,2
Polarare Oberfläche (TPSA)	119
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	2
Schwere Atome	18
Formalladung	0
Komplexität	307
Arzneimittel	Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Antibiotics
Schmelzpunkt	225-229 °C
Siedepunkt	394.4°C (rough estimate)
Dichte	1.2938 (rough estimate)
Brechungsindex	1.7610 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit	Soluble in DMSO (up to 25 mg/ml).
Aggregatzustand	Powder
pKa (Säurekonstante)	13+-.0.60(Predicted)
Farbe	White to Off-white
Biologische Quelle	Cordyceps militaris
Merck	14,2529
BRN	35194
Stabilität	Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
Kosmetik-Inhaltsstoffe Funktionen	SKIN CONDITIONING
InChI	1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
InChIKey	OFEZSBMBBKLLBJ-BAJZRUMYSA-N
SMILES	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)C[C@H]3O
CAS Datenbank	73-03-0(CAS DataBase Reference)
EPA chemische Informationen	Adenosine, 3'-deoxy- (73-03-0)

GHS-Einstufung	DangerH301 (95.3%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Adenosine, 3'-deoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Acute Tox. 3 (95.3%)
F	10-21
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811
Zollcode	29349990
RTECS-Nr.	AU7358610
R-Sätze (R)	40-36/37/38-25-20/21/22
Gefahrensymbole	Xn,T
Sicherheitshinweise (S)	22-36-45-26
Gefahrenklasse	6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

First reported nucleoside antibiotic.